SCHEMBL2972810

SCHEMBL2972810

CN(C)C1(Cc2cccc(F)c2)CCC(NC(=O)COc2ccc(Cl)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATF4 P18848 5/20 0.55
LMNA P02545 1/20 0.49
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
SIGMAR1 Q99720 2/20 0.42
USP2 O75604 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADIPOR2 Q86V24 1/20 0.41
ADIPOR1 Q96A54 1/20 0.41
MCHR1 Q99705 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2982908 0.92 MCHR1 (0.50) ATF4LMNAPOLBSIGMAR1CYP1A2
SCHEMBL2987754 0.92 POLB (0.50) LMNARAB9APOLBKMT2AHPGD
SCHEMBL2987178 0.92 ATF4 (0.58) ATF4LMNARAB9APOLBNPC1
SCHEMBL2981298 0.90 ATF4 (0.56) ATF4LMNARAB9APOLBKMT2A
SCHEMBL2987483 0.88 ATF4 (0.61) ATF4LMNARAB9APOLBKMT2A
SCHEMBL2978761 0.87 ATF4 (0.65) ATF4LMNAPOLBKMT2A
SCHEMBL5162540 0.87 MCHR1 (0.46) POLBSIGMAR1MCHR1
SCHEMBL2983707 0.86 POLB (0.53) ATF4LMNAPOLBSIGMAR1USP2
SCHEMBL2987366 0.85 MCHR1 (0.54) ATF4POLBCYP1A2CYP3A4CYP2C19
SCHEMBL5162405 0.84 PPARG (0.39) ATF4LMNAPOLBKMT2ASIGMAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786328-B2 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2010-08-31 US claimed
JP-2007536322-A 2007-12-13 JP claimed
US-20070281954-A1 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-12-06 US claimed
EP-1747191-A1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES WITH A CHAIN EXTENSION Grünenthal GmbH (DE) 2007-01-31 EP claimed
WO-2005110975-A1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES WITH A CHAIN EXTENSION Grünenthal GmbH (DE) 2005-11-24 WO claimed
US-7786328-B2 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2010-08-31 US disclosed
US-20070281954-A1 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-12-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070281954-A1 Cyclohexyl-1,4-diamine compounds DPYD, PKD1, AOC1 ATF4 1845/4885LMNA 1459/4885RAB9A 516/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.